3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione

C13H22N2O2 — CID 63812378

IUPAC3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione
SMILESCCCCC(CC)Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C13H22N2O2/c1-4-6-7-11(5-2)10-15-12(16)8-9-14(3)13(15)17/h8-9,11H,4-7,10H2,1-3H3
InChIKeyRZNSTGPCSVPSNX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.76
Rot. Bonds6

About 3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione

3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione (PubChem CID 63812378) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione
PubChem CID63812378
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione
SMILESCCCCC(CC)Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C13H22N2O2/c1-4-6-7-11(5-2)10-15-12(16)8-9-14(3)13(15)17/h8-9,11H,4-7,10H2,1-3H3
InChIKeyRZNSTGPCSVPSNX-UHFFFAOYSA-N
XLogP1.76
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione
CID 63811354
1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile
CID 67693947
3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione
CID 115870960
5-amino-3-(2-ethylhexyl)-1-propylpyrimidine-2,4-dione
CID 63800991
3-butyl-1-ethylpyrimidine-2,4-dione
CID 63812534
6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 16717830
5-amino-1-ethyl-3-(2-ethylhexyl)pyrimidine-2,4-dione
CID 63800980
1-(2-ethylhexyl)-3-hydroxypyridin-2-one
CID 151678015
hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 158092891
4-(3-methyl-2,6-dioxopyrimidin-1-yl)butanethioamide
CID 63800844
13,15-dibromo-5,11-bis(2-ethylhexyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2(8),3(16),7(15),9(14)-pentaene-4,6,10,12-tetrone
CID 91150886
2-(2-ethylhexyl)-6,7-dimethylbenzo[de]isoquinoline-1,3-dione
CID 157287985

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione (CID 63812378) is 3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione is CCCCC(CC)Cn1c(=O)ccn(C)c1=O.
What is the InChIKey of 3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is RZNSTGPCSVPSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-6-7-11(5-2)10-15-12(16)8-9-14(3)13(15)17/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione?
3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 238.33 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 63812378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).